7-dibenzothiophen-2-yl-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 7-dibenzothiophen-2-yl-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 7-dibenzothiophen-2-yl-4-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 7-(2-dibenzothiophenyl)-4-(3-pyridinylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 7-dibenzothiophen-2-yl-4-(pyridin-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 7-dibenzothiophen-2-yl-4-(3-pyridylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C27H22N2O2S MolecularWeight: 438.54078

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=CN=CC=C3)C=C(C=C2O)C4=CC5=C(C=C4)SC6=CC=CC=C65

Isomeric SMILES

C1COC2=C(CN1CC3=CN=CC=C3)C=C(C=C2O)C4=CC5=C(C=C4)SC6=CC=CC=C65

InChI

InChI=1S/C27H22N2O2S/c30-24-14-20(19-7-8-26-23(13-19)22-5-1-2-6-25(22)32-26)12-21-17-29(10-11-31-27(21)24)16-18-4-3-9-28-15-18/h1-9,12-15,30H,10-11,16-17H2